(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal

C18H32O4Si — CID 101492999

IUPAC(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/C=C\C=O)CCCC1OCCO1
InChIInChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16(10-7-6-8-13-19)11-9-12-17-20-14-15-21-17/h6-8,10,13,16-17H,9,11-12,14-15H2,1-5H3/b8-6-,10-7+/t16-/m1/s1
InChIKeyAIVPSGFAYFLJQA-HKSFZPIMSA-N
MW340.54 g/mol
LogP4.23
Rot. Bonds9

About (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal

(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal (PubChem CID 101492999) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal
PubChem CID101492999
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/C=C\C=O)CCCC1OCCO1
InChIInChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16(10-7-6-8-13-19)11-9-12-17-20-14-15-21-17/h6-8,10,13,16-17H,9,11-12,14-15H2,1-5H3/b8-6-,10-7+/t16-/m1/s1
InChIKeyAIVPSGFAYFLJQA-HKSFZPIMSA-N
XLogP4.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hepta-2,4-dienal
CID 134942562

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal?
The IUPAC name of (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal (CID 101492999) is (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal.
What is the SMILES notation for (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal?
The canonical SMILES for (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal is CC(C)(C)[Si](C)(C)O[C@H](/C=C/C=C\C=O)CCCC1OCCO1.
What is the InChIKey of (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal?
The InChIKey is AIVPSGFAYFLJQA-HKSFZPIMSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-18(2,3)23(4,5)22-16(10-7-6-8-13-19)11-9-12-17-20-14-15-21-17/h6-8,10,13,16-17H,9,11-12,14-15H2,1-5H3/b8-6-,10-7+/t16-/m1/s1.
What are the key properties of (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal?
(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal has a molecular weight of 340.54 g/mol, XLogP of 4.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-9-(1,3-dioxolan-2-yl)nona-2,4-dienal is sourced from PubChem (CID 101492999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).